Library Search Results - NonTarget Hits with Details

Component RT Compound Name Component Area Match Factor CAS# Formula Estimated Conc.
39.1075 Guanosine, N,N-dimethyl-1- 317433.4 60.7 55556-84-8 C24H49N5O5Si4
(trimethylsilyl)-2',3',5'-tris-O-
(trimethylsilyl)-
Component RT: 39.1075
x102
Counts

599.5
0.9
0.8
0.7
0.6
0.5
0.4
0.3
0.2
0.1 207.9 280.7
310.5 399.8
0
50 75 100 125 150 175 200 225 250 275 300 325 350 375 400 425 450 475 500 525 550 575 600 625 650
Mass-to-Charge (m/z)
Guanosine, N,N-dimethyl-1-(trimethylsilyl)-2',3',5'-tris-O-(trimethylsilyl)- (NIST17.L)
x102
Counts

599.0
0.9
0.8
0.7
0.6
0.5
0.4
0.3 251.0 280.0
584.0
0.2 324.0 366.0
0.1 103.0 217.0
147.0 348.0 438.0 511.0
0
50 75 100 125 150 175 200 225 250 275 300 325 350 375 400 425 450 475 500 525 550 575 600 625 650
Mass-to-Charge (m/z)
+ Scan (39.0910-39.1198 min, 16 scans) TX 010-23 ME.D
x102
Counts

599.8
0.9
0.8
0.7
0.6 55.2
0.5
0.4
0.3 206.8
130.9
0.2
0.1 281.0
0
0 25 50 75 100 125 150 175 200 225 250 275 300 325 350 375 400 425 450 475 500 525 550 575 600 625 650
Mass-to-Charge (m/z)
Component RT: 39.1075 EIC Peaks
x105 x105
Counts

Counts

Component 599.5
599.5 598.7
6 4.5
598.7 4 280.7
5
207.9 3.5 207.9
4 3
280.7 297.5
3 2.5
297.5 2
2 1.5
1 1
0.5
0 0
39.1 39.12 39.1 39.11 39.12
Acquisition Time (min) Acquisition Time (min)
File Name TX 010-23 EA.D Path Name D:\MassHunter\Data\PRL 2023\FEBRUARY\20-02-23
Sample Name TX 010-23 EA Type Sample
Acq. Method File Pest scan training Acq. Method Path D:\MassHunter\GCMS\1\methods\Training\
Acq. Date-Time 26/02/2023 05:11:52 Acq. Operator KS
Instrument Name 7000D Dil. 1

Component RT Compound Name CAS# Formula Component Match Factor Estimated

Area Conc.
8.1652 Hexane, 2-methyl- 591-76-4 C7H16 26593045.3 68.5
Page 99 of 370 Generated at 07:35 on 27/02/2023
 Library Search Results - NonTarget Hits with Details
Component RT Compound Name CAS# Formula Component Match Factor Estimated
Area Conc.
8.1656 Diallyl disulphide 2179-57-9 C6H10S2 81603853.9 66.4
8.2596 5-Methyl-1,2,3,4-tetrathiane 116664-30-3 C3H6S4 867999707.2 90.9
8.3109 Cyclohexane, (ethenylthio)- 18888-48-7 C8H14S 3878974.5 60.7
8.3390 1,3-Dithiole-2-thione 930-35-8 C3H2S3 136134986.8 72.3
8.4576 Cyclohexene, 4-ethenyl-3-(1-methyl-1-propenyl)- 61142-15-2 C12H18 1214971.7 62.0
8.6646 4-(4-Methylpent-3-enyl)-3,6-dihydro-1,2-dithiin 73188-23-5 C10H16S2 813972.9 60.1
8.7895 (.eta.(5)-Cyclopentadienyl)[.eta.(4)-5-(3- 1000112-23-0 C15H21Co 677785.5 61.0
methylbutyl)-1,3-cyclopentadiene]cobalt
8.7925 (-)-Aristolene 6831-16-9 C15H24 9017322.2 81.2
9.1619 Benzene, octyl- 2189-60-8 C14H22 19983566.3 79.8
9.3308 1H-3a,7-Methanoazulene, 2,3,6,7,8,8a-hexahydro- 560-32-7 C15H24 8059606.5 60.8
1,4,9,9-tetramethyl-,
(1.alpha.,3a.alpha.,7.alpha.,8a.beta.)-
9.3692 Sulfurous acid, 2-ethylhexyl isohexyl ester 1000309-19-0 C14H30O3S 9798509.2 80.4
9.4281 (1S,2E,6E,10R)-3,7,11,11- 24703-35-3 C15H24 6870895.3 78.0
Tetramethylbicyclo[8.1.0]undeca-2,6-diene
9.7097 2,4-Di-tert-butylphenol 96-76-4 C14H22O 13916396.0 71.3
9.7937 Azulene, 1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7- 3691-11-0 C15H24 7992686.5 81.6
(1-methylethenyl)-, [1S-
(1.alpha.,7.alpha.,8a.beta.)]-
9.9155 Ethanol, 2-iodo- 624-76-0 C2H5IO 4564807.8 69.0
10.0827 Nonane, 5-methyl-5-propyl- 17312-75-3 C13H28 2523755.3 66.7
10.1024 Sulfurous acid, 2-ethylhexyl isohexyl ester 1000309-19-0 C14H30O3S 715594.2 69.4
10.3383 Semioxamazide 515-96-8 C2H5N3O2 1671965.3 64.2
10.8728 Benzene, nonyl- 1081-77-2 C15H24 7298236.1 83.7
11.1367 Benzaldehyde, 2-hydroxy- 90-02-8 C7H6O2 8497305.1 66.9
11.1391 Diethyl Phthalate 84-66-2 C12H14O4 50390673.4 86.1
11.3174 Decane, 2,5,9-trimethyl- 62108-22-9 C13H28 1781300.2 64.8
11.7247 1,2,4-Triazin-5(2H)-one, 3,4-dihydro-3-thioxo- 626-08-4 C3H3N3OS 5421427.0 61.7
12.0081 Cyclohexane-1,2,4,5-tetracarboxylic acid 1000453-65-6 C10H12O8 94715.8 60.5
12.0256 2,6-Octadiene, 2,6-dimethyl- 2792-39-4 C10H18 2964701.6 64.6
12.3722 3-Methoxyacetanilide 588-16-9 C9H11NO2 1355354.2 60.5
12.3833 Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl 24851-98-7 C13H22O3 123110016.5 83.8
ester
12.6482 Lenthionine 292-46-6 C2H4S5 11312466.2 77.7
12.7230 Hexylresorcinol 136-77-6 C12H18O2 132430.2 65.5
12.8243 Methanamine, N-(5-phenyl-1,3,4-oxadiazol-2- 1000263-56-8 C10H11N3O 10746973.1 63.2
yl)methyl-
12.8247 1,4-Oxathiin-3-carboxylic acid, 5,6-dihydro-2- 6577-69-1 C6H8O3S 4186556.5 60.0
methyl-
12.8448 4-Methyl-1,2,3-trithiolane 116664-29-0 C3H6S3 249007064.0 70.2
12.8690 cis-3-Hexenyl salicylate 65405-77-8 C13H16O3 9968724.7 70.6
12.8735 Hydroperoxide, 1-methylethyl 3031-75-2 C3H8O2 1440113.7 78.7
12.9726 Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl 24851-98-7 C13H22O3 18998624.9 76.5
ester
13.4252 Decane, 1-iodo- 2050-77-3 C10H21I 6182140.1 80.8
13.9764 Ethanone, 2-hydroxy-1,2-bis(4-methoxyphenyl)- 119-52-8 C16H16O4 177489.9 67.1
14.4903 Decane, 3-ethyl-3-methyl- 17312-66-2 C13H28 1124689.7 60.3
14.4905 1,2-Benzendiol, O-hexanoyl- 1000330-12-4 C12H16O3 762960.6 63.1
14.5538 Hexathiepane 17233-71-5 CH2S6 19980908.2 80.4
15.1545 1,3-Dioxane, 2,2,4,6-tetramethyl-, trans- 20268-00-2 C8H16O2 6365889.0 73.6
15.2668 Ambrox 100679-85-4 C16H28O 4693463.1 61.1
15.2790 l-Proline, n-propargyloxycarbonyl-, propargyl ester 1000328-17-4 C12H13NO4 2046206.9 63.4
15.5776 1,3-Dioxane, 2,2,4,6-tetramethyl-, trans- 20268-00-2 C8H16O2 6018671.3 70.5
16.0694 Naphthalene, 6,7-diethyl-1,2,3,4-tetrahydro- 55741-10-1 C18H28 4373407.2 60.4
1,1,4,4-tetramethyl-
16.0717 8-Ethyl-4,6,6,8-tetramethyl-3,4,6,7-tetrahydro-1H- 1000432-48-9 C18H26O 4300185.0 64.5
cyclopenta(G)-2-benzopyran
16.1902 Benzoic acid, 4-(4-propylcyclohexyl)-, 4'-cyano[1,1'- 82406-83-5 C29H29NO2 265788.1 67.6
biphenyl]-4-yl ester
16.5002 3,7,11,Trimethyl-8,10- dodecedienylacetate 1000374-10-3 C17H30O2 9232350.0 69.9
16.5047 Disulfide, 1-(1-propenyldithio)propyl propyl, (Z)- 126876-37-7 C9H18S4 467567.6 64.8
16.5124 1,E-11,Z-13-Pentadecatriene 80625-34-9 C15H26 9922593.4 75.0
16.5125 Pyrimidine, 4-butyl-3,4-dihydro-5-methyl- 1000115-50-2 C9H16N2 1767481.3 75.8
16.6460 Spiropentane, butyl- 6191-90-8 C9H16 7214730.3 69.3
16.6532 Z-1,9-Dodecadiene 1000245-71-0 C12H22 6724537.2 68.5
16.8389 1,6-Octadiene, 2,6-dimethyl-, (Z)- 6874-34-6 C10H18 2323188.3 67.5
16.8389 E-11(12-Cyclopropyl)dodecen-1-ol 134760-88-6 C15H28O 2651903.9 66.2
17.1038 1-Aminocyclopentanecarboxylic acid, N- 1000328-97-6 C18H33NO4 1091928.0 66.6
ethoxycarbonyl-, nonyl ester
17.1205 Cyclopenta[g]-2-benzopyran, 1,3,4,6,7,8- 1222-05-5 C18H26O 6487389.0 70.4
hexahydro-4,6,6,7,8,8-hexamethyl-
17.1250 Cyclopenta[g]-2-benzopyran, 1,3,4,6,7,8- 1222-05-5 C18H26O 51591766.8 72.1
hexahydro-4,6,6,7,8,8-hexamethyl-
17.1367 Ethane, iodo- 75-03-6 C2H5I 3207797.2 67.4
17.7219 2,5-cyclohexadien-1-one, 4,4'-(1,4- 1000402-93-7 C34H44N2O2 26749.5 66.7
phenylenedinitrilo)bis[2,6-bis(1,1-dimethylethyl)-

Page 100 of 370 Generated at 07:35 on 27/02/2023

 Library Search Results - NonTarget Hits with Details
Component RT Compound Name CAS# Formula Component Match Factor Estimated
Area Conc.
17.8592 Cyclopenta[g]-2-benzopyran, 1,3,4,6,7,8- 1222-05-5 C18H26O 1474076.8 60.4
hexahydro-4,6,6,7,8,8-hexamethyl-
17.9910 Cyclopenta[g]-2-benzopyran, 1,3,4,6,7,8- 1222-05-5 C18H26O 919484.0 63.4
hexahydro-4,6,6,7,8,8-hexamethyl-
18.3845 L-Leucine, N-methyl-N-(octyloxycarbonyl)-, dodecyl 1000392-36-5 C28H55NO4 1419727.3 61.3
ester
18.4147 5,11-Dihydro-8-methylthio-6H-pyrido[2,3- 133727-45-4 C13H11N3OS 812804.4 62.3
b][1,4]benzodiazepine-6-one
18.4602 Cyclopenta[g]-2-benzopyran, 1,3,4,6,7,8- 1222-05-5 C18H26O 1046104.8 71.9
hexahydro-4,6,6,7,8,8-hexamethyl-
18.7413 Cyclopenta[g]-2-benzopyran, 1,3,4,6,7,8- 1222-05-5 C18H26O 4291773.6 72.4
hexahydro-4,6,6,7,8,8-hexamethyl-
18.8454 2-Pyrimidinamine, 4-(4-fluorophenyl)-6- 1000351-33-5 C11H7F4N3 69514.5 63.1
(trifluoromethyl)-
18.9185 2-Pyrimidinamine, 4-(4-fluorophenyl)-6- 1000351-33-5 C11H7F4N3 64240.2 65.0
(trifluoromethyl)-
18.9407 4,6(1H)-Pyrimidinedione, 3,4,5,6-tetrahydro-2- 4425-67-6 C4H5N3O2 303313.1 68.2
imino-
19.8391 2,2'-Biquinoline 119-91-5 C18H12N2 70720.2 63.3
20.1096 5-Methyl-2-(2-methyl-2- 1000112-56-4 C10H18O2 2370408.3 64.3
tetrahydrofuryl)tetrahydrofuran
20.3095 2-Vinyl-4H-1,3-dithiine 80028-57-5 C6H8S2 13323608.0 61.2
20.3964 Hexane, 3-methoxy- 54658-01-4 C7H16O 709309.6 64.4
22.7051 Cyclic octaatomic sulfur 10544-50-0 S8 73865594.7 93.6
22.7378 2-[5-(4-Chlorophenyl)-2H-1,2,4-triazol-3- 1000459-27-7 C10H11ClN4 20296.5 61.8
yl]ethanamine
22.9078 Bicyclo[2.2.2]octa-2,5-diene, 1,4,5,7,7,8,8- 31575-41-4 C10H7F7 88187.7 73.4
heptafluoro-2,3-dimethyl-
22.9409 L-Leucine, N-methyl-N-(octyloxycarbonyl)-, nonyl 1000392-36-2 C25H49NO4 21519.0 61.3
ester
24.3807 2-Pentene, 5-(pentyloxy)-, (E)- 56052-85-8 C10H20O 129676.5 64.7
30.9797 1,3-Diiminoisoindoline 57500-34-2 C8H7N3 292731.8 64.3
35.6500 Guanosine, N,N-dimethyl-1-(trimethylsilyl)-2',3',5'- 55556-84-8 C24H49N5O5Si4 500356.8 62.9
tris-O-(trimethylsilyl)-

Page 101 of 370 Generated at 07:35 on 27/02/2023

 Library Search Results - NonTarget Hits with Details
Sample Chromatogram
+ TIC Scan TX 010-23 EA.D
x108
Counts

2.4
2.35
2.3
2.25
2.2
2.15
2.1
2.05
2
1.95
1.9
1.85
1.8
1.75
1.7
1.65
1.6
1.55
1.5
1.45
1.4
1.35
1.3
1.25
1.2
1.15
1.1
1.05
1
0.95
0.9
0.85
0.8
0.75
0.7
0.65
0.6
12.3833

0.55
0.5
0.45
12.8448

0.4
0.35
11.1391

0.3
17.1205

0.25
22.7051

0.2
9.1619

0.15
20.3095
16.5124
14.5538
13.4252
11.7247

15.1545

18.7413
17.8592

0.1
35.6500
30.9797
24.3807

0.05
0
9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41
Acquisition Time (min)

Page 102 of 370 Generated at 07:35 on 27/02/2023